N-[2-[2-aminoethyl-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethyl]amino]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide

C20H28N6O6 — CID 59281654

IUPACN-[2-[2-aminoethyl-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethyl]amino]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide
SMILESNCCN(CCNC(=O)CCN1C(=O)C=CC1=O)CCNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C20H28N6O6/c21-7-12-24(13-8-22-15(27)5-10-25-17(29)1-2-18(25)30)14-9-23-16(28)6-11-26-19(31)3-4-20(26)32/h1-4H,5-14,21H2,(H,22,27)(H,23,28)
InChIKeyGUXQCRXFDKQFFF-UHFFFAOYSA-N
MW448.48 g/mol
LogP-2.89
Rot. Bonds14

About N-[2-[2-aminoethyl-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethyl]amino]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide

N-[2-[2-aminoethyl-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethyl]amino]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide (PubChem CID 59281654) has the molecular formula C20H28N6O6 and a molecular weight of 448.48 g/mol. Its IUPAC name is N-[2-[2-aminoethyl-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethyl]amino]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide.

Molecular Properties

Compound NameN-[2-[2-aminoethyl-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethyl]amino]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide
PubChem CID59281654
Molecular FormulaC20H28N6O6
Molecular Weight448.48 g/mol
Exact Mass448.21
IUPAC NameN-[2-[2-aminoethyl-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethyl]amino]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide
SMILESNCCN(CCNC(=O)CCN1C(=O)C=CC1=O)CCNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C20H28N6O6/c21-7-12-24(13-8-22-15(27)5-10-25-17(29)1-2-18(25)30)14-9-23-16(28)6-11-26-19(31)3-4-20(26)32/h1-4H,5-14,21H2,(H,22,27)(H,23,28)
InChIKeyGUXQCRXFDKQFFF-UHFFFAOYSA-N
XLogP-2.89
TPSA162.22 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.48
LogP ≤ 5-2.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze N-[2-[2-aminoethyl-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethyl]amino]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-aminoethyl-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethyl]amino]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide?
The IUPAC name of N-[2-[2-aminoethyl-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethyl]amino]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide (CID 59281654) is N-[2-[2-aminoethyl-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethyl]amino]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide.
What is the SMILES notation for N-[2-[2-aminoethyl-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethyl]amino]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide?
The canonical SMILES for N-[2-[2-aminoethyl-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethyl]amino]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide is NCCN(CCNC(=O)CCN1C(=O)C=CC1=O)CCNC(=O)CCN1C(=O)C=CC1=O.
What is the InChIKey of N-[2-[2-aminoethyl-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethyl]amino]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide?
The InChIKey is GUXQCRXFDKQFFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O6/c21-7-12-24(13-8-22-15(27)5-10-25-17(29)1-2-18(25)30)14-9-23-16(28)6-11-26-19(31)3-4-20(26)32/h1-4H,5-14,21H2,(H,22,27)(H,23,28).
What are the key properties of N-[2-[2-aminoethyl-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethyl]amino]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide?
N-[2-[2-aminoethyl-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethyl]amino]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide has a molecular weight of 448.48 g/mol, XLogP of -2.89, 14 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-aminoethyl-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethyl]amino]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide is sourced from PubChem (CID 59281654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).